2-methoxybenzenethiolate
2-Methoxybenzenethiol
CAS: 7217-59-6
Molecular Formula: C7H8OS
2-methoxybenzenethiolate - Names and Identifiers
| Name | 2-Methoxybenzenethiol |
| Synonyms | 2-Methoxythiophenol 2-Methoxybenzenethiol 2-Methoxybenzene-1-thiol 2-methoxybenzenethiolate Benzenethiol, 2-methoxy- Thiocatechol O-methyl ether 2-Mercaptoanisole~2-Methoxybenzenethiol 2-METHOXYTHIOPHENOL 2-METHOXYBENZENETHIOL 2-Mercaptoanisole, 2-Methoxybenzenethiol, Thioguaiacol |
| CAS | 7217-59-6 |
| EINECS | 230-605-7 |
| InChI | InChI=1/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3/p-1 |
2-methoxybenzenethiolate - Physico-chemical Properties
| Molecular Formula | C7H8OS | ||||||||||
| Molar Mass | 140.2 | ||||||||||
| Density | 1.152 g/mL at 25 °C (lit.) | ||||||||||
| Melting Point | 306.7-313.7 °C (decomp) | ||||||||||
| Boling Point | 99 °C/8 mmHg (lit.) | ||||||||||
| Flash Point | 204°F | ||||||||||
| JECFA Number | 1666 | ||||||||||
| Solubility | H2O: insoluble | ||||||||||
| Vapor Presure | 0.077mmHg at 25°C | ||||||||||
| Appearance | Liquid | ||||||||||
| Specific Gravity | 1.152 | ||||||||||
| Color | Clear yellow | ||||||||||
| BRN | 2042178 | ||||||||||
| pKa | 6.62±0.43(Predicted) | ||||||||||
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C | ||||||||||
| Stability | Moisture Sensitive | ||||||||||
| Sensitive | Stench | ||||||||||
| Refractive Index | n20/D 1.591(lit.) | ||||||||||
| Physical and Chemical Properties |
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2-methoxybenzenethiolate - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | 3334 |
| WGK Germany | 3 |
| RTECS | DC1790000 |
| FLUKA BRAND F CODES | 10-13-23 |
| TSCA | T |
| HS Code | 29309090 |
| Hazard Note | Harmful/Stench |
| Hazard Class | IRRITANT, STENCH |
2-methoxybenzenethiolate - Reference Information
| FEMA | 4159 | 2-MERCAPTOANISOLE |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 2-methoxythiophenol is a thiophenol compound. Thiophenol compounds have a very wide range of applications in the fields of drug synthesis, organic chemistry and material chemistry. They can be used to synthesize thrombin inhibitors, fungicides, Dermatitis Drugs, herbicides, corrosion inhibitors and photosensitive materials. |
| preparation | O-iodoanisole 234mg(1mmol) and sodium sulfide 9 hydrate 720.54mg(3mmol), copper powder 6.35mg(0.1mmol), ethylene dithiol 16.8uL(0.2mmol),3ml solvent DMSO, was placed in a 25ml reaction tube equipped with a magnet, sealed with argon, heated and stirred, and reacted in an oil bath at 100 ° C. For 18 hours. After completion of the reaction, the reaction solution was transferred to a 250ml separatory funnel by washing with NaOH solution, extracted with diethyl ether to remove the upper organic solvent, the aqueous phase was adjusted to pH 1-3, extracted with diethyl ether and washed with water, the organic phase was dried with anhydrous magnesium sulfate. Rotary distillation under reduced pressure and column chromatography were carried out to obtain 116mg of a white solid product in a yield of 83%. |
Last Update：2024-04-09 21:01:54
